Crystallography Open Database

Information card for entry 1574685

Preview

Coordinates	1574685.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	10-I-H2O
Formula	C16 H38 I2 N2
Calculated formula	C16 H38 I2 N2
SMILES	C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[I-].[I-]
Title of publication	Polymorphism and phase transformation tuned luminescence and mechanistic insights in nonconventional luminophores
Authors of publication	Li, Anze; Zhao, Zihao; Yang, Guangxin; Zhang, Qiang; Chen, Xiang; Yuan, Wang Zhang
Journal of publication	Chemical Science
Year of publication	2025
Journal volume	16
Journal issue	25
Pages of publication	11530 - 11538
a	18.6422 ± 0.0008 Å
b	13.4664 ± 0.0005 Å
c	13.1607 ± 0.001 Å
α	90°
β	128.465 ± 0.001°
γ	90°
Cell volume	2586.9 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.1023
Weighted residual factors for all reflections included in the refinement	0.1161
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300615 (current)	2025-07-06	cif/ Updating files of 1574679, 1574680, 1574681, 1574682, 1574683, 1574684, 1574685 Original log message: Adding full bibliography for 1574679--1574685.cif.	1574685.cif
299750	2025-05-21	cif/ Adding structures of 1574679, 1574680, 1574681, 1574682, 1574683, 1574684, 1574685 via cif-deposit CGI script.	1574685.cif